PrCuPd2
Alexandria ALEXAlex-ID: agm005702875 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
PrPd2 PrCu3Pd2
2023-07-12 01:27:32.868951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702875).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005702875
data_agm005702875
_cell_length_a 5.50833
_cell_length_b 7.22143
_cell_length_c 15.25022
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 606.62281
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.48449 0.25000 0.14281 1.00000
Pr2 Pr 0.98449 0.75000 0.35719 1.00000
Pr3 Pr 0.51551 0.75000 0.85719 1.00000
Pr4 Pr 0.01551 0.25000 0.64281 1.00000
Pr5 Pr 0.73296 0.25000 0.39284 1.00000
Pr6 Pr 0.23295 0.75000 0.10716 1.00000
Pr7 Pr 0.26704 0.75000 0.60716 1.00000
Pr8 Pr 0.76704 0.25000 0.89284 1.00000
Cu1 Cu 0.21799 0.25000 0.31834 1.00000
Cu2 Cu 0.71799 0.75000 0.18166 1.00000
Cu3 Cu 0.78201 0.75000 0.68166 1.00000
Cu4 Cu 0.28201 0.25000 0.81834 1.00000
Cu5 Cu 0.99407 0.25000 0.07110 1.00000
Cu6 Cu 0.49407 0.75000 0.42890 1.00000
Cu7 Cu 0.00593 0.75000 0.92890 1.00000
Cu8 Cu 0.50593 0.25000 0.57110 1.00000
Pd1 Pd 0.95515 0.05045 0.21363 1.00000
Pd2 Pd 0.45515 0.94955 0.28637 1.00000
Pd3 Pd 0.04485 0.55045 0.78637 1.00000
Pd4 Pd 0.54485 0.44955 0.71363 1.00000
Pd5 Pd 0.04485 0.94955 0.78637 1.00000
Pd6 Pd 0.54485 0.05045 0.71363 1.00000
Pd7 Pd 0.95515 0.44955 0.21363 1.00000
Pd8 Pd 0.45515 0.55045 0.28637 1.00000
Pd9 Pd 0.74109 0.55139 0.03612 1.00000
Pd10 Pd 0.24109 0.44861 0.46388 1.00000
Pd11 Pd 0.25891 0.05139 0.96388 1.00000
Pd12 Pd 0.75891 0.94861 0.53612 1.00000
Pd13 Pd 0.25891 0.44861 0.96388 1.00000
Pd14 Pd 0.75891 0.55139 0.53612 1.00000
Pd15 Pd 0.74109 0.94861 0.03612 1.00000
Pd16 Pd 0.24109 0.05139 0.46388 1.00000
